SCHEMBL12876153

SCHEMBL12876153

Cc1cccc(-c2nc(COC3CCCCO3)c(CO)s2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
PKM P14618 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
PPARD Q03181 1/20 0.35
TSHR P16473 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
HPGD P15428 1/20 0.34
STAT3 P40763 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12876150 0.90 FFAR1 (0.36) FFAR1PPARGPPARARAB9ANPC1
SCHEMBL4807747 0.88 KDM4C (0.39) KDM4CKDM4EICAM1SELE
SCHEMBL1197624 0.87 MEN1 (0.41) PPARGPPARARAB9AKDM4CALDH1A1
SCHEMBL12876163 0.85 KDM4C (0.35) FFAR1PPARGPPARARAB9ANPC1
SCHEMBL12876144 0.84 RAB9A (0.38) FFAR1PPARGPPARARAB9ANPC1
SCHEMBL4807394 0.82 L3MBTL1 (0.40) FFAR1PPARGPPARAKDM4CPPARD
SCHEMBL4807205 0.80 PPARD (0.37) FFAR1PPARGPPARANPC1ALDH1A1
SCHEMBL1198888 0.78 GRIN1 (0.37) PPARGPPARARAB9AKDM4CALDH1A1
SCHEMBL4812134 0.77 KDM4C (0.39) RAB9ANPC1KDM4CALDH1A1LMNA
SCHEMBL12876229 0.77 NPC1 (0.34) PPARGPPARARAB9ANPC1KDM4C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A FFAR1 1382/4885PPARG 139/4885PPARA 517/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.